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We present a second-order strictly length-preserving and unconditionally energy-stable rotational discrete gradient (Rdg) scheme for the numerical approximation of the Oseen-Frank gradient flows with anisotropic elastic energy functional. Two essential ingredients of the Rdg method are reformulation of the length constrained gradient flow into an unconstrained rotational form and discrete gradient discretization for the energy variation. Besides the well-known mean-value and Gonzalez discrete gradients, we propose a novel Oseen-Frank discrete gradient, specifically designed for the solution of Oseen-Frank gradient flow. We prove that the proposed Oseen-Frank discrete gradient satisfies the energy difference relation, thus the resultant Rdg scheme is energy stable. Numerical experiments demonstrate the efficiency and accuracy of the proposed Rdg method and its capability for providing reliable simulation results with highly disparate elastic coefficients.

We study the power of randomness in the Number-on-Forehead (NOF) model in communication complexity. We construct an explicit 3-player function $f:[N]^3 \to \{0,1\}$, such that: (i) there exist a randomized NOF protocol computing it that sends a constant number of bits; but (ii) any deterministic or nondeterministic NOF protocol computing it requires sending about $(\log N)^{1/3}$ many bits. This exponentially improves upon the previously best-known such separation. At the core of our proof is an extension of a recent result of the first and third authors on sets of integers without 3-term arithmetic progressions into a non-arithmetic setting.

We consider a linear implicit-explicit (IMEX) time discretization of the Cahn-Hilliard equation with a source term, endowed with Dirichlet boundary conditions. For every time step small enough, we build an exponential attractor of the discrete-in-time dynamical system associated to the discretization. We prove that, as the time step tends to 0, this attractor converges for the symmmetric Hausdorff distance to an exponential attractor of the continuous-in-time dynamical system associated with the PDE. We also prove that the fractal dimension of the exponential attractor (and consequently, of the global attractor) is bounded by a constant independent of the time step. The results also apply to the classical Cahn-Hilliard equation with Neumann boundary conditions.

Hysteresis is a ubiquitous phenomenon in science and engineering; its modeling and identification are crucial for understanding and optimizing the behavior of various systems. We develop an ordinary differential equation-based recurrent neural network (RNN) approach to model and quantify the hysteresis, which manifests itself in sequentiality and history-dependence. Our neural oscillator, HystRNN, draws inspiration from coupled-oscillatory RNN and phenomenological hysteresis models to update the hidden states. The performance of HystRNN is evaluated to predict generalized scenarios, involving first-order reversal curves and minor loops. The findings show the ability of HystRNN to generalize its behavior to previously untrained regions, an essential feature that hysteresis models must have. This research highlights the advantage of neural oscillators over the traditional RNN-based methods in capturing complex hysteresis patterns in magnetic materials, where traditional rate-dependent methods are inadequate to capture intrinsic nonlinearity.

The Sinc approximation applied to double-exponentially decaying functions is referred to as the DE-Sinc approximation. Because of its high efficiency, this method has been used in various applications. In the Sinc approximation, the mesh size and truncation numbers should be optimally selected to achieve its best performance. However, the standard selection formula has only been "near-optimally" selected because the optimal formula of the mesh size cannot be expressed in terms of elementary functions of truncation numbers. In this study, we propose two improved selection formulas. The first one is based on the concept by an earlier research that resulted in a better selection formula for the double-exponential formula. The formula performs slightly better than the standard one, but is still not optimal. As a second selection formula, we introduce a new parameter to propose truly optimal selection formula. We provide explicit error bounds for both selection formulas. Numerical comparisons show that the first formula gives a better error bound than the standard formula, and the second formula gives a much better error bound than the standard and first formulas.

We establish error bounds of the Lie-Trotter time-splitting sine pseudospectral method for the nonlinear Schr\"odinger equation (NLSE) with semi-smooth nonlinearity $ f(\rho) = \rho^\sigma$, where $\rho=|\psi|^2$ is the density with $\psi$ the wave function and $\sigma>0$ is the exponent of the semi-smooth nonlinearity. Under the assumption of $ H^2 $-solution of the NLSE, we prove error bounds at $ O(\tau^{\frac{1}{2}+\sigma} + h^{1+2\sigma}) $ and $ O(\tau + h^{2}) $ in $ L^2 $-norm for $0<\sigma\leq\frac{1}{2}$ and $\sigma\geq\frac{1}{2}$, respectively, and an error bound at $ O(\tau^\frac{1}{2} + h) $ in $ H^1 $-norm for $\sigma\geq \frac{1}{2}$, where $h$ and $\tau$ are the mesh size and time step size, respectively. In addition, when $\frac{1}{2}<\sigma<1$ and under the assumption of $ H^3 $-solution of the NLSE, we show an error bound at $ O(\tau^{\sigma} + h^{2\sigma}) $ in $ H^1 $-norm. Two key ingredients are adopted in our proof: one is to adopt an unconditional $ L^2 $-stability of the numerical flow in order to avoid an a priori estimate of the numerical solution for the case of $ 0 < \sigma \leq \frac{1}{2}$, and to establish an $ l^\infty $-conditional $ H^1 $-stability to obtain the $ l^\infty $-bound of the numerical solution by using the mathematical induction and the error estimates for the case of $ \sigma \ge \frac{1}{2}$; and the other one is to introduce a regularization technique to avoid the singularity of the semi-smooth nonlinearity in obtaining improved local truncation errors. Finally, numerical results are reported to demonstrate our error bounds.

Differential geometric approaches are ubiquitous in several fields of mathematics, physics and engineering, and their discretizations enable the development of network-based mathematical and computational frameworks, which are essential for large-scale data science. The Forman-Ricci curvature (FRC) - a statistical measure based on Riemannian geometry and designed for networks - is known for its high capacity for extracting geometric information from complex networks. However, extracting information from dense networks is still challenging due to the combinatorial explosion of high-order network structures. Motivated by this challenge we sought a set-theoretic representation theory for high-order network cells and FRC, as well as their associated concepts and properties, which together provide an alternative and efficient formulation for computing high-order FRC in complex networks. We provide a pseudo-code, a software implementation coined FastForman, as well as a benchmark comparison with alternative implementations. Crucially, our representation theory reveals previous computational bottlenecks and also accelerates the computation of FRC. As a consequence, our findings open new research possibilities in complex systems where higher-order geometric computations are required.

The fourth-order PDE that models the density variation of smectic A liquid crystals presents unique challenges in its (numerical) analysis beyond more common fourth-order operators, such as the classical biharmonic. While the operator is positive definite, the equation has a "wrong-sign" shift, making it somewhat more akin to an indefinite Helmholtz operator, with lowest-energy modes consisting of plane waves. As a result, for large shifts, the natural continuity, coercivity, and inf-sup constants degrade considerably, impacting standard error estimates. In this paper, we analyze and compare three finite-element formulations for such PDEs, based on $H^2$-conforming elements, the $C^0$ interior penalty method, and a mixed finite-element formulation that explicitly introduces approximations to the gradient of the solution and a Lagrange multiplier. The conforming method is simple but is impractical to apply in three dimensions; the interior-penalty method works well in two and three dimensions but has lower-order convergence and (in preliminary experiments) seems difficult to precondition; the mixed method uses more degrees of freedom, but works well in both two and three dimensions, and is amenable to monolithic multigrid preconditioning. Our analysis reveals different behaviours of the error bounds with the shift parameter and mesh size for the different schemes. Numerical results verify the finite-element convergence for all discretizations, and illustrate the trade-offs between the three schemes.

We establish error bounds of the Lie-Trotter time-splitting sine pseudospectral method for the nonlinear Schr\"odinger equation (NLSE) with semi-smooth nonlinearity $ f(\rho) = \rho^\sigma$, where $\rho=|\psi|^2$ is the density with $\psi$ the wave function and $\sigma>0$ is the exponent of the semi-smooth nonlinearity. Under the assumption of $ H^2 $-solution of the NLSE, we prove error bounds at $ O(\tau^{\frac{1}{2}+\sigma} + h^{1+2\sigma}) $ and $ O(\tau + h^{2}) $ in $ L^2 $-norm for $0<\sigma\leq\frac{1}{2}$ and $\sigma\geq\frac{1}{2}$, respectively, and an error bound at $ O(\tau^\frac{1}{2} + h) $ in $ H^1 $-norm for $\sigma\geq \frac{1}{2}$, where $h$ and $\tau$ are the mesh size and time step size, respectively. In addition, when $\frac{1}{2}<\sigma<1$ and under the assumption of $ H^3 $-solution of the NLSE, we show an error bound at $ O(\tau^{\sigma} + h^{2\sigma}) $ in $ H^1 $-norm. Two key ingredients are adopted in our proof: one is to adopt an unconditional $ L^2 $-stability of the numerical flow in order to avoid an a priori estimate of the numerical solution for the case of $ 0 < \sigma \leq \frac{1}{2}$, and to establish an $ l^\infty $-conditional $ H^1 $-stability to obtain the $ l^\infty $-bound of the numerical solution by using the mathematical induction and the error estimates for the case of $ \sigma \ge \frac{1}{2}$; and the other one is to introduce a regularization technique to avoid the singularity of the semi-smooth nonlinearity in obtaining improved local truncation errors. Finally, numerical results are reported to demonstrate our error bounds.

Stochastic multi-scale modeling and simulation for nonlinear thermo-mechanical problems of composite materials with complicated random microstructures remains a challenging issue. In this paper, we develop a novel statistical higher-order multi-scale (SHOMS) method for nonlinear thermo-mechanical simulation of random composite materials, which is designed to overcome limitations of prohibitive computation involving the macro-scale and micro-scale. By virtue of statistical multi-scale asymptotic analysis and Taylor series method, the SHOMS computational model is rigorously derived for accurately analyzing nonlinear thermo-mechanical responses of random composite materials both in the macro-scale and micro-scale. Moreover, the local error analysis of SHOMS solutions in the point-wise sense clearly illustrates the crucial indispensability of establishing the higher-order asymptotic corrected terms in SHOMS computational model for keeping the conservation of local energy and momentum. Then, the corresponding space-time multi-scale numerical algorithm with off-line and on-line stages is designed to efficiently simulate nonlinear thermo-mechanical behaviors of random composite materials. Finally, extensive numerical experiments are presented to gauge the efficiency and accuracy of the proposed SHOMS approach.